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algorithm density » algorithm design (Expand Search), algorithm reality (Expand Search), algorithm website (Expand Search)
python function » protein function (Expand Search)
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A detailed process of iterative simulation coupled with bone density algorithm; (a) a function of stimulus and related bone density changes, and (b) iterative calculations of finite element analysis coupled with user’s subroutine for changes in bone density.
Published 2025“…<p>A detailed process of iterative simulation coupled with bone density algorithm; (a) a function of stimulus and related bone density changes, and (b) iterative calculations of finite element analysis coupled with user’s subroutine for changes in bone density.…”
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Pt Cluster Catalysts and Alkane to Aromatic Conversion Evaluated Using a Combination of Swarm Intelligence and Density Functional Theory
Published 2025“…The catalyst and mechanistic details of this system are not fully known. Here, we report density functional theory (DFT) calculations combined with a swarm intelligence algorithm to determine Pt positioning and interaction with the zeolite framework and detailed comparison of reaction pathways. …”
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Practical rules for summing the series of the Tweedie probability density function with high-precision arithmetic
Published 2019“…With these practical rules, simple summation algorithms provide sufficiently robust results for the calculation of the density function and its definite integrals. …”
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Integral-Direct and Parallel Implementation of the CCSD(T) Method: Algorithmic Developments and Large-Scale Applications
Published 2019“…A completely integral-direct, disk I/O, and network traffic economic coupled-cluster singles, doubles, and perturbative triples [CCSD(T)] implementation has been developed relying on the density-fitting approximation. By fully exploiting the permutational symmetry, the presented algorithm is highly operation count and memory-efficient. …”
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Python-Based Algorithm for Estimating NRTL Model Parameters with UNIFAC Model Simulation Results
Published 2025“…This algorithm conducts a series of procedures: (1) fragmentation of the molecules into functional groups from SMILES, (2) calculation of activity coefficients under predetermined temperature and mole fraction conditions by employing universal quasi-chemical functional group activity coefficient (UNIFAC) model, and (3) regression of NRTL model parameters by employing UNIFAC model simulation results in the differential evolution algorithm (DEA) and Nelder–Mead method (NMM). …”
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<b>Opti2Phase</b>: Python scripts for two-stage focal reducer
Published 2025“…</li></ul><p dir="ltr">The scripts rely on the following Python packages. Where available, repository links are provided:</p><ol><li><b>NumPy</b>, version 1.22.1</li><li><b>SciPy</b>, version 1.7.3</li><li><b>PyGAD</b>, version 3.0.1 — https://pygad.readthedocs.io/en/latest/#</li><li><b>bees-algorithm</b>, version 1.0.2 — https://pypi.org/project/bees-algorithm</li><li><b>KrakenOS</b>, version 1.0.0.19 — https://github.com/Garchupiter/Kraken-Optical-Simulator</li><li><b>matplotlib</b>, version 3.5.2</li></ol><p dir="ltr">All scripts are modular and organized to reflect the design stages described in the manuscript.…”
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Performance of the smooth-index algorithm for matrices with different densities.
Published 2024“…<p><b>A</b> Example matrices for N = 50 neurons, given a density of 50% in the lower triangle<b>. B</b> Performance of the algorithm as a function of the number of neurons. …”
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A Python Package for the Localization of Protein Modifications in Mass Spectrometry Data
Published 2022Subjects: -
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